Geometry & MOs

Info

ID:	189596
PubChem CID:	77877492
Reduced:	BrS2O4C25H35 (1)
Stoich.:	AB2C4D25E35 (1)
Weight, g/mol:	470.191623
ΔH_f, kcal/mol:	-175.22
Dipole, Da:	4.36
IP(EA), eV:	-8.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,9-trifluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

CSC=CC(C12CC(CC1C3=CC(=CC(=C3O2)CCCCOC4CCCCO4)Br)O)SC

DOS

IR

Vibrations